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Information card for entry 7250084
Preview
| Coordinates | 7250084.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H8 N10 O |
|---|---|
| Calculated formula | C8 H8 N10 O |
| Title of publication | Site-selective electrochemical synthesis of nitrogen-enriched bis-pyrazole derivatives: a sustainable approach for N–N versus NN bond formation |
| Authors of publication | Liu, Lei; Huang, Wengzhe; Yuan, Ye; Lu, Lu; Tang, Yongxing; Huang, Wei |
| Journal of publication | Green Chemistry |
| Year of publication | 2025 |
| Journal volume | 27 |
| Journal issue | 14 |
| Pages of publication | 3727 - 3732 |
| a | 3.616 ± 0.002 Å |
| b | 16.677 ± 0.011 Å |
| c | 17.954 ± 0.011 Å |
| α | 90° |
| β | 95.76 ± 0.02° |
| γ | 90° |
| Cell volume | 1077.2 ± 1.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1346 |
| Residual factor for significantly intense reflections | 0.0715 |
| Weighted residual factors for significantly intense reflections | 0.1773 |
| Weighted residual factors for all reflections included in the refinement | 0.2104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301011 (current) | 2025-07-06 | cif/ Updating files of 7250084 Original log message: Adding full bibliography for 7250084.cif. |
7250084.cif |
| 298339 | 2025-03-08 | cif/ Adding structures of 7250084 via cif-deposit CGI script. |
7250084.cif |
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Users of the data should acknowledge the original authors of the
structural data.